3-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[[4-(methylthio)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]adamantane-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-[4-(methylthio)benzyl]adamantane-1-carboxamide Formula: C25H28ClNOS MolecularWeight: 426.01392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H28ClNOS/c1-29-22-8-2-17(3-9-22)15-27-23(28)25-13-18-10-19(14-25)12-24(11-18,16-25)20-4-6-21(26)7-5-20/h2-9,18-19H,10-16H2,1H3,(H,27,28)